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CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen Liu Yaping Tang Malin Liu Institute of nuclear and New energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized *** the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical ***,particle calculation time step will directly affect the efficiency of coupling *** this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction *** this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation *** the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time *** multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction *** is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size *** at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed

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CFD-DEM simulation of high density particles fluidization behaviors in 3D conical spouted beds

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Particuology 2024年第5期88卷 266-281页

作者： Lin Jiang Mofan Qiu Rongzheng Liu Bing Liu Youlin Shao Malin Liu Institute of nuclear and New energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing 100084China

The spouted bed has been used in the coating process of high-density nuclear fuel *** particle fluidization behaviors in pseudo-2D and 3D spouted beds were simulated and *** effects of four independent variables(cone angle,particle density,inlet gas velocity,and particle loading)on particle fluidization behaviors in the 3D spouted bed were investigated *** cone angle effect on fluidization mechanism was studied quantitatively first time.A new fluidization quality index was proposed based on the particle entrainment principle,and an extreme value was obtained when the cone angle was 60°,considered to be the optimum value for the 3D conical spouted *** was indicated the gas–solid contact efficiency can be kept up if the gas velocity was proportional to ρ_(p)^(0.65) and N_(p)^(0.78) when the particle density or loading was *** results will be useful for geometry and operation parameters design of the 3D conical spouted bed and helpful for developing the fluidization mechanism of high-density particles.

关键词： Spouted bed High-density particle CFD-DEM Fluidization quality index Particle loading

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Halogen-bond induced unusual polyhalogen anions formation in hydrogen-bonded frameworks to secure iodine sequestration

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Nano Research 2024年第7期17卷 6766-6772页

作者： Yi Xie Pengling Huang Qiang Gao Shiyu Wang Jianchen Wang Gang Ye Collaborative Innovation Center of Advanced nuclear energy Technology Institute of Nuclear and New Energy TechnologyTsinghua UniversityBeijing 100084China

Safe confinement of fission iodine isotopes for long-term radioactive waste disposal remains a formidable challenge,as conventional sorbents provide inherently weak iodine-host *** report here a novel halogen bond(X-bond)directed strategy to sequester volatile iodine in hydrogen-bonded(H-bonded)frameworks with unprecedented ***-assisted Hbonded frameworks bearing open halide sites are developed,showing distinctive iodine encapsulation behaviors without compromising the *** crystallographic evidence indicates the formation of X-bonds,i.e.,I–I···Cl^(−) and I–I···Br^(−),within the confined pore *** polyhalogen anions,i.e.,[I_(2)Cl_(2)]^(2−)and[I_(2)Br_(2)]^(2−),sustained in H-bonded frameworks are identified for the first *** X-bond reinforced host-guest interaction affords robust iodine trapping without leaking out even at elevated temperatures up to 180℃.By integrating the halogen-bond chemistry with H-bonded frameworks,this study offers fresh concepts for developing effective host reservoirs to secure fission iodine isotopes from spent fuel reprocessing off-gases.

关键词： halogen-bond chemistry anion coordination chemistry hydrogen-bonded organic frameworks polyhalogen anions iodine confinement

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Perception of fundamental science to boost lithium metal anodes toward practical application

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Green energy & Environment 2024年第3期9卷 454-472页

作者： Jinkun Wang Li Wang Hong Xu Li Sheng Xiangming He Institute of nuclear and New energy Technology Tsinghua UniversityBeijing100084China

As a key material for lithium metal batteries(LMBs),lithium metal is one of the most promising anode materials to break the bottleneck of battery energy density and a commonly used active material for reference *** lithium anodes are regarded as the holy grail of lithium batteries,decades of exploration have not led to the successful commercialization of LMBs,due mainly to the challenges related to the inherent properties of lithium *** pave the way for further investigation,herein,a comprehensive review focusing on the fundamental science of lithium are ***,the natures of lithium atoms and their isotopes,lithium clusters and lithium crystals are revisited,especially their structural and energetic ***,the electrochemical properties of lithium metal are *** important concepts and scientific questions,including the electronic structure of lithium,influence of high pressure and low temperature on the properties of lithium,factors influencing lithium deposition,generation of lithium dendrites,and electrode potential of lithium in different electrolytes,are explained and analyzed in *** to improve the performance of lithium anodes and thoughtfulness about the electrode potential in lithium battery research are proposed.

关键词： Lithium Cluster Crystal Physicochemical property Fundamental science

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Theoretical design of polyazole based ligands for the separation of Am(Ⅲ)/Eu(Ⅲ)

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Chinese Chemical Letters 2024年第8期35卷 406-412页

作者： Lingling Su Qunyan Wu Congzhi Wang Jianhui Lan Weiqun Shi School of nuclear Science and Technology University of South ChinaHengyang 421001China Laboratory of nuclear energy Chemistry Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China

The extraction of radioactive minor actinides(An(Ⅲ))from lanthanides(Ln(Ⅲ))is an extremely impor-tant step in nuclear waste *** ligands with high-performance actinide-selectivity re-mains an essential *** works have reported that some polyazole based ligands exhibit good An(Ⅲ)/Ln(Ⅲ)separation ***,we first evaluated the effects of different polyazole side chains on the Am(Ⅲ)/Eu(Ⅲ)selectivity by exploring three pyridine-derived polyazole ligands L^(1),L^(2)and L^(3)with 1,2,4-triazole,1,2,3-triazole,and pyrazole side chains,respectively,using scalar relativistic theoretical *** coordination structures,bonding properties and thermodynamic behaviors of AmL(NO_(3))_(3)and EuL(NO_(3))_(3)complexes were investigated,which clarifies that the side chains do affect the electronic structure of ligand and its selectivity for Am(Ⅲ)/Eu(Ⅲ)***,L^(1)with 1,2,4-triazole side chains exhibited the highest selectivity for Am(Ⅲ)over Eu(Ⅲ)while the lowest complexation ability for metal ions among the three pyridine-derived polyazole ***,we designed a new ligand L^(4)con-taining 1,2,4-triazole side chains and a preorganized phenanthroline ***,such a new ligand was verified to show stronger complexation ability and higher selectivity for Am(Ⅲ)/Eu(Ⅲ)ions than L^(1).This work clarifies the complexation nature of polyazole based ligands with Am(Ⅲ)/Eu(Ⅲ)ions and provides design strategies for highly efficient polyazole based ligands for An(Ⅲ)/Ln(Ⅲ)separation.

关键词： Solvent extraction Am(Ⅲ)/Eu(Ⅲ)separation Polyazole based ligands Design strategy Density functional theory

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A study of U-isotope ground state properties with covariant energy density functional

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Chinese Physics C 2024年第6期48卷 130-135页

作者：王俊辰田源续瑞瑞崔莹陶曦孙小东张智张玥韩银录葛智刚舒能川 China nuclear Data Center China Institute of Atomic EnergyBeijing 102413China China Institute of Atomic energy Beijing 102413China

In this study,we systematically analyzed the ground state of uranium isotopes from 225 to *** our calculations,we used the covariant energy density functional of density-dependent meson exchange interaction(DDME2)with separable pairing interaction(TMR).Using the multiple deformation constraint,we calculated the potential energy surface(PES)of the uranium isotopes for both even-even and even-odd nuclei with quadrupole and octupole *** on our calculation and upon comparing the experimental data and Hartree-Fock-Bogoliubov calculations with Gogny D1S calculation data,the ground state of uranium isotopes with reflection-asymmetric deformation was found to be preferred.

关键词： relativistic mean field density functional theory octupole deformation

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Trial application of the envelope method to the potential ambiguity problem

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nuclear Science and Techniques 2024年第1期35卷 73-80页

作者： Li-Yuan Hu Yu-Shou Song Fundamental Science on nuclear Safety and Simulation Technology Laboratory Harbin Engineering UniversityHarbin 150001China College of nuclear Science and Technology Harbin Engineering UniversityHarbin 150001China Key Laboratory of nuclear Safety and Advanced nuclear energy Technology Ministry of Industry and Information TechnologyHarbin 150001China

The optical potential ambiguity is a long-standing problem in the analysis of elastic scattering *** a specific collid-ing system,ambiguous potential families can lead to different behaviors in the nearside and farside scattering *** contrast,the envelope method can decompose the experimental data into two components with negative and positive deflection angles,***,a question arises as to whether the comparison between the calculated nearside(or farside)component and the derived positive-deflection-angle(or negative-deflection-angle)component can help analyze the potential ambiguity *** this study,we conducted a trial application of the envelope method to the potential ambiguity *** envelope method was improved by including uncertainties in the experimental *** colliding systems of 16O+28Si at 215.2 MeV and 12C+12C at 1016 MeV were considered in the *** each colliding system,the angular distribution experimental data were described nearly equally well by two potential sets,one of which is“surface transpar-ent”and the other is *** calculated angular distributions were decomposed into nearside and farside scattering *** the improved envelope method,the experimental data were decomposed into the positive-deflection-angle and negative-deflection-angle components,which were then compared with the calculated nearside and farside *** capability of the envelope method to analyze the potential ambiguities was also discussed.

关键词： Elastic scattering Optical potential ambiguities Envelope method Nearside/farside decomposition

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Response characteristics of PWR primary circuit under SBLOCAs considering steam bypass discharging

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nuclear Science and Techniques 2024年第6期35卷 189-201页

作者： Shuai Yang Xiang-Bin Li Yu-Sheng Liu Jia-Ning Xu De-Chen Zhang School of nuclear Science and Engineering North China Electric Power UniversityBeijing 102206China Beijing Key Laboratory of Passive Safety Technology for nuclear energy Beijing 102206China nuclear and Radiation Safety Center MEPBeijing 100084China

Small-break superposed station blackout(SBO)accidents are the basic design accidents of nuclear power *** the condition of a small break in the cold leg,SBO further increases the severity of the accident,and the steam bypass discharg-ing system(GCT)in the second circuit can play an important role in guaranteeing core *** explore the influence of the GCT on the thermal-hydraulic characteristics of the primary circuit,RELAP5 software was used to establish a numerical model based on a typical pressurized water reactor nuclear power *** different small breaks in the cold-leg super-posed SBO were selected,and the impact of the GCT operation on the transient response characteristics of the primary and secondary circuit systems was *** results show that the GCT plays an indispensable role in core heat removal during an accident;otherwise,core safety cannot be *** GCT was used in conjunction with the primary safety injection system during the placement *** the break diameter was greater than a certain critical value,the core cooling rate could not be guaranteed to be less than 100 K/h;however,the core remained in a safe state.

关键词： Steam bypass discharging Pressurized water reactor SBLOCA Numerical simulation

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Evaluation of excavation damaged zones(EDZs)in Horonobe Underground Research Laboratory(URL)

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第2期16卷 365-378页

作者： Koji Hata Sumio Niunoya Kazuhei Aoyagi Nobukatsu Miyara Obayashi Corporation Technology Research InstituteTechnology DivisionKiyoseTokyo204-8558Japan Obayashi Corporation Nuclear Facilities DivisionSinagawaTokyo108-8502Japan Japan Atomic energy Agency Horonobe Underground Research CenterHoronobeHokkaido098-3224Japan

Excavation of underground caverns,such as mountain tunnels and energy-storage caverns,may cause the damages to the surrounding rock as a result of the stress *** this influenced zone,new cracks and discontinuities are created or propagate in the rock ***,it is effective to measure and evaluate the acoustic emission(AE)events generated by the rocks,which is a small elastic vibration,and permeability *** authors have developed a long-term measurement device that incorporates an optical AE(O-AE)sensor,an optical pore pressure sensor,and an optical temperature sensor in a single multi-optical measurement probe(MOP).Japan Atomic energy Agency has been conducting R&D activities to enhance the reliability of high-level radioactive waste(HLW)deep geological disposal *** a high-level radioactive disposal project,one of the challenges is the development of methods for long-term monitoring of rock mass ***,in January 2014,the long-term measurements of the hydro-mechanical behavior of the rock mass were launched using the developed MOP in the vicinity of 350 m below the surface at the Horonobe Underground Research *** measurement results show that AEs occur frequently up to 1.5 m from the wall during *** addition,hydraulic conductivity increased by 2e4 orders of *** analysis revealed that the hydraulic behavior of the rock mass affected the pore pressure fluctuations and caused *** on this,a conceptual model is developed to represent the excavation damaged zone(EDZ),which contributes to the safe geological disposal of radioactive waste.

关键词： Excavation damaged zone(EDZ) Optical sensor Long-term monitoring Acoustic emission(AE) Shaft sinking

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Comprehensive analysis of uncertainty quantification for the^(58)Ni(n,p)^(58)Co reaction cross section

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Chinese Physics C 2024年第9期48卷 170-175页

作者： Mahesh Choudhary Aman Sharma Namrata Singh Mahima Upadhyay Punit Dubey A.Gandhi Akash Hingu G Mishra Sukanya De L.S.Danu Ajay Kumar R.G.Thomas Saurav Sood Sajin Prasad S.Mukherjee I.N.Ruskov Yu.N.Kopatch A.Kumar Department of Physics Banaras Hindu UniversityVaranasi 221005India Horia Hulubei National Institute of Physics and nuclear Engineering-IFIN-HH Bucharest 077125Romania Department of Physics The Maharaja Sayajirao University of BarodaVadodara 390002India nuclear Physics division Bhabha Atomic Research CentreMumbai 400085India Health Physics division Bhabha Atomic Research CentreMumbai 400085India Department of Electrical Power Engineering Brno University of TechnologyBrno 61600Czech Republic Institute for nuclear Research and nuclear energy Bulgarian Academy of SciencesSofia 1784Bulgaria Joint Institute for nuclear Research(JINR) Dubna 141980Russia

In this study,we measured the^(58)Ni(n,p)^(58)Co reaction cross section with neutron energies of 1.06,1.86,and 2.85 *** cross section was measured using neutron activation techniques andγ-ray spectroscopy,and it was compared with cross section data available in the ***,we calculated the covariance matrix of the measured cross section for the aforementioned nuclear *** uncertainties of the theoretical calculation for^(58)Ni(n,p)^(58)Co reaction cross section were calculated via Monte Carlo *** this study,we used uncertainties in the optical model and level density parameters to calculate uncertainties in the theoretical cross *** theoretical calculations were performed by using *** this study,we aim to analyze the effect of uncertainties of the nuclear model input as well as different experimental variables used to obtain the values of reaction cross section.

关键词： ^(58)Ni(n p)^(58)Co reaction γ-ray spectroscopy uncertainty quantification of cross section covariance analysis

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